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Results: 1-14 |
Results: 14
VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM OF MONOMETHYL AND DIMETHYL DERIVATIVES OF 6,8-DIOXABICYCLO[3.2.1]OCTANE
Authors: ASHVAR CS DEVLIN FJ STEPHENS PJ BAK KL EGGIMANN T WIESER H
Citation: Cs. Ashvar et al., VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM OF MONOMETHYL AND DIMETHYL DERIVATIVES OF 6,8-DIOXABICYCLO[3.2.1]OCTANE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(34), 1998, pp. 6842-6857
AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - ALPHA-PINENE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - ALPHA-PINENE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(51), 1997, pp. 9912-9924
AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., AB-INITIO PREDICTION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISMSPECTRA OF CHIRAL NATURAL-PRODUCTS USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(35), 1997, pp. 6322-6333
AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY
Authors: STEPHENS PJ ASHVAR CS DEVLIN FJ CHEESEMAN JR FRISCH MJ
Citation: Pj. Stephens et al., AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY, Molecular physics, 89(2), 1996, pp. 579-594
AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA - 6,8-DIOXABICYCLO[3.2.1]OCTANE
Authors: ASHVAR CS DEVLIN FJ BAK KL TAYLOR PR STEPHENS PJ
Citation: Cs. Ashvar et al., AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA - 6,8-DIOXABICYCLO[3.2.1]OCTANE, Journal of physical chemistry, 100(22), 1996, pp. 9262-9270
AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY
Authors: CHEESEMAN JR FRISCH MJ DEVLIN FJ STEPHENS PJ
Citation: Jr. Cheeseman et al., AB-INITIO CALCULATION OF ATOMIC AXIAL TENSORS AND VIBRATIONAL-ROTATIONAL STRENGTHS USING DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 252(3-4), 1996, pp. 211-220
PREDICTION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE
Authors: DEVLIN FJ STEPHENS PJ CHEESEMAN JR FRISCH MJ
Citation: Fj. Devlin et al., PREDICTION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL THEORY - CAMPHOR AND FENCHONE, Journal of the American Chemical Society, 118(26), 1996, pp. 6327-6328
AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS - A COMPARISON OF LOCAL, NONLOCAL, AND HYBRID DENSITY FUNCTIONALS
Authors: DEVLIN FJ FINLEY JW STEPHENS PJ FRISCH MJ
Citation: Fj. Devlin et al., AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS - A COMPARISON OF LOCAL, NONLOCAL, AND HYBRID DENSITY FUNCTIONALS, Journal of physical chemistry, 99(46), 1995, pp. 16883-16902
AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGGAUGE-INVARIANT ATOMIC ORBITALS
Authors: BAK KL DEVLIN FJ ASHVAR CS TAYLOR PR FRISCH MJ STEPHENS PJ
Citation: Kl. Bak et al., AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGGAUGE-INVARIANT ATOMIC ORBITALS, Journal of physical chemistry, 99(41), 1995, pp. 14918-14922
THEORETICAL CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA
Authors: STEPHENS PJ DEVLIN FJ ASHVAR CS CHABALOWSKI CF FRISCH MJ
Citation: Pj. Stephens et al., THEORETICAL CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA, Faraday discussions, (99), 1994, pp. 103-119
AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS
Authors: STEPHENS PJ DEVLIN FJ CHABALOWSKI CF FRISCH MJ
Citation: Pj. Stephens et al., AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS, Journal of physical chemistry, 98(45), 1994, pp. 11623-11627
AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGLARGE BASIS-SET MP2 FORCE-FIELDS
Authors: STEPHENS PJ CHABALOWSKI CF DEVLIN FJ JALKANEN KJ
Citation: Pj. Stephens et al., AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USINGLARGE BASIS-SET MP2 FORCE-FIELDS, Chemical physics letters, 225(1-3), 1994, pp. 247-257
AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA OF CHIRAL NATURAL-PRODUCTS USING MP2 FORCE-FIELDS - CAMPHOR
Authors: DEVLIN FJ STEPHENS PJ
Citation: Fj. Devlin et Pj. Stephens, AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA OF CHIRAL NATURAL-PRODUCTS USING MP2 FORCE-FIELDS - CAMPHOR, Journal of the American Chemical Society, 116(11), 1994, pp. 5003-5004
ABINITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING ACCURATE POST-SELF-CONSISTENT-FIELD FORCE-FIELDS - TRANS-2,3-DIDEUTERIOOXIRANE
Authors: STEPHENS PJ JALKANEN KJ DEVLIN FJ CHABALOWSKI CF
Citation: Pj. Stephens et al., ABINITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING ACCURATE POST-SELF-CONSISTENT-FIELD FORCE-FIELDS - TRANS-2,3-DIDEUTERIOOXIRANE, Journal of physical chemistry, 97(23), 1993, pp. 6107-6110
Risultati: 1-14 |